Unveiling corrosion reaction mechanism of β-NiAl coating modified by platinum and hafnium in NaCl- or Na2SO4-containing mediums

doi:10.1016/j.jmst.2025.01.077

Abstract

Abstract: Self-catalytic reactions have consistently been implicated in the high-temperature corrosion mechanism of NiAl-phase coatings in NaCl- or Na₂SO₄-containing mediums, with little discussion concerning the adsorption and competitive behavior of complex environmental molecules. This study investigated the adsorption and dissociation behavior of a series of gas-phase molecules (O₂, H₂O, SO₃, S₂, H₂S, Cl₂ and HCl) on the NiAl(110) surface using first-principles calculations. The findings reveal a mechanism of competitive adsorption and dissociation, with two distinct adsorption dissociation behaviors observed upon the introduction of Pt or Hf elements. Pt-doping inhibits the surface adsorption behavior of self-catalytic molecules, while Hf significantly enhances the adsorption and dissociation of oxygen-carrying molecules. By preparing three types of NiAl-phase coatings (β-NiAl, (Ni,Pt)Al, and Hf-(Ni,Pt)Al) and conducting corrosion tests in the presence of NaCl or Na₂SO₄, it is determined that the excellent corrosion resistance of Hf-(Ni,Pt)Al can be attributed to the combined effects of Pt in delaying corrosion reactions and Hf in promoting the formation of a protective oxide scale. A comprehensive analysis, combining first-principles calculations and experimental observations, was conducted to elucidate the corrosion mechanisms of three coatings in different corrosion mediums.

Key words: NiAl-phase coating, Self-catalytic reactions, First-principles calculations, Surface chemical behavior, Corrosion mechanism

Yiming Jiang, Shuai Li, Di Huang, Zebin Bao, Jiemin Wang, Shenglong Zhu, Fuhui Wang. Unveiling corrosion reaction mechanism of β-NiAl coating modified by platinum and hafnium in NaCl- or Na₂SO₄-containing mediums[J]. J. Mater. Sci. Technol., 2025, 237: 54-67.

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Unveiling corrosion reaction mechanism of β-NiAl coating modified by platinum and hafnium in NaCl- or Na₂SO₄-containing mediums

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